SCHEMBL26808363

SCHEMBL26808363

CCOc1cc(-c2ccccc2C(C)C)nc(NS(=O)(=O)c2cnn(C)c2Cl)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ALPL P05186 5/20 0.35
▸ CCR4 P51679 1/20 0.35
▸ USP1 O94782 3/20 0.32
▸ TP53 P04637 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ PDE1A P54750 1/20 0.32
▸ PDE1B Q01064 1/20 0.32
▸ PDE1C Q14123 1/20 0.32
▸ TRPC5 Q9UL62 1/20 0.32
▸ BCDIN3D Q7Z5W3 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ ALOX5AP P20292 1/20 0.31
▸ FEN1 P39748 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26808359 0.90 GPR39 (0.35) ALDH1A1TSHRUSP1MAPTKDM4E
SCHEMBL26808361 0.89 LTB4R (0.31) USP1TRPC5
SCHEMBL29566540 0.86 BRD4 (0.37) CCR4POLBKDM4EHTT
SCHEMBL24309792 0.86 BRD4 (0.37) CCR4POLBKDM4EHTT
SCHEMBL29566663 0.85 SCN1A (0.32) ALDH1A1TSHRCCR4USP1MAPT
SCHEMBL24309702 0.85 SCN1A (0.32) ALDH1A1TSHRCCR4USP1MAPT
SCHEMBL29567059 0.84 USP1 (0.31) ALDH1A1TSHRCCR4USP1MAPT
SCHEMBL24309340 0.84 USP1 (0.31) ALDH1A1TSHRCCR4USP1MAPT
SCHEMBL26808358 0.84 CRHR1 (0.35) USP1
SCHEMBL26806784 0.76 POLB (0.41) ALDH1A1TSHRPOLBMAPTKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B ALDH1A1 3992/4885TSHR 1755/4885ALPL 4846/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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